input word = C00052150

Metabolite InformationStructural formula
Name 3-Methylglutaconic acid
Formula C6H8O4
Mw 144.04225874
CAS RN 5746-90-7
C_ID C00052150
InChIKey WKRBKYFIJPGYQC-DUXPYHPUSA-N
InChICode InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
SMILES C/C(=CC(=O)O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
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OrganismHomo sapiens (Urine)
ReferencePLoS ONE., 2013, 8(9), e73076